N-[3-(propan-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxamide

C14H20N2O2S — CID 119306269

IUPACN-[3-(propan-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(C)OCc1cccc(NC(=O)C2CSCN2)c1
InChIInChI=1S/C14H20N2O2S/c1-10(2)18-7-11-4-3-5-12(6-11)16-14(17)13-8-19-9-15-13/h3-6,10,13,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyMYABULLVEMEWKM-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.21
Rot. Bonds5

About N-[3-(propan-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxamide

N-[3-(propan-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 119306269) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[3-(propan-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(propan-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID119306269
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[3-(propan-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(C)OCc1cccc(NC(=O)C2CSCN2)c1
InChIInChI=1S/C14H20N2O2S/c1-10(2)18-7-11-4-3-5-12(6-11)16-14(17)13-8-19-9-15-13/h3-6,10,13,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyMYABULLVEMEWKM-UHFFFAOYSA-N
XLogP2.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24703459
N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119853195
3-[3-(1,3-thiazolidine-4-carbonylamino)phenyl]propanoic acid
CID 115339862
N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281758
N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24689839
N-[3-(propanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 61250253
N-[3-(ethylcarbamoylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119307462
N-[3-(propan-2-yloxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119753972
N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119294213
N-[3-(propan-2-yloxymethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937948
N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 61258442
N-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 54862152

Frequently Asked Questions

What is the IUPAC name of N-[3-(propan-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[3-(propan-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxamide (CID 119306269) is N-[3-(propan-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[3-(propan-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[3-(propan-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxamide is CC(C)OCc1cccc(NC(=O)C2CSCN2)c1.
What is the InChIKey of N-[3-(propan-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is MYABULLVEMEWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10(2)18-7-11-4-3-5-12(6-11)16-14(17)13-8-19-9-15-13/h3-6,10,13,15H,7-9H2,1-2H3,(H,16,17).
What are the key properties of N-[3-(propan-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxamide?
N-[3-(propan-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(propan-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119306269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).